-
Federal
Judson_Mansouri_Automated_Chemical_Curation_QSAREnvRes_Data
U.S. Environmental Protection Agency —
Here we describe the development of an automated KNIME workflow to curate and correct errors in the structure and identity of chemicals using the publically available... -
Federal
In Silico Prediction of Physicochemical Properties of Environmental Chemicals Using Molecular Fingerprints and Machine Learning
U.S. Environmental Protection Agency —
QSAR Model Reporting Formats. Examples of R code: feature selection and regression analysis. Figure S1: Data distribution of logBCF, BP, MP and logVP. Figures S2–S5:... -
Federal
The role of soil and house dust physicochemical properties in the post ingestion bioaccessibility of sorbed polychlorinated biphenyls
U.S. Environmental Protection Agency —
This file presents physicochemical properties of soils, house dusts, PCBs, and the bioaccessibility values calculated from the analysis of PCBs in the soils, house... -
Federal
Rapid Experimental Estimates of Physicochemical Properties
U.S. Environmental Protection Agency —
We have performed high-throughput experimental estimates of five physicochemical properties for a set of 200 chemicals to evaluate the consistency with previous...